3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one

C22H26N4O3 — CID 66636790

IUPAC3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESCCN(CC)Cc1c[nH]c(/C=C2\C(=O)Nc3ccc(CN4CCOC4=O)cc32)c1
InChIInChI=1S/C22H26N4O3/c1-3-25(4-2)13-16-9-17(23-12-16)11-19-18-10-15(5-6-20(18)24-21(19)27)14-26-7-8-29-22(26)28/h5-6,9-12,23H,3-4,7-8,13-14H2,1-2H3,(H,24,27)/b19-11-
InChIKeyGMUXYIRJWZVNSH-ODLFYWEKSA-N
MW394.48 g/mol
LogP3.30
Rot. Bonds7

About 3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one

3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 66636790) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID66636790
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESCCN(CC)Cc1c[nH]c(/C=C2\C(=O)Nc3ccc(CN4CCOC4=O)cc32)c1
InChIInChI=1S/C22H26N4O3/c1-3-25(4-2)13-16-9-17(23-12-16)11-19-18-10-15(5-6-20(18)24-21(19)27)14-26-7-8-29-22(26)28/h5-6,9-12,23H,3-4,7-8,13-14H2,1-2H3,(H,24,27)/b19-11-
InChIKeyGMUXYIRJWZVNSH-ODLFYWEKSA-N
XLogP3.30
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

S-49076
CID 49870909
(Z)-3-((1H-pyrrol-2-yl)methylene)indolin-2-one
CID 5908088
JAK3 inhibitor VI
CID 9947841
(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indole-5-carbonitrile
CID 11447681
(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indole-5-carboxamide
CID 23647618
(3Z)-5-(aminomethyl)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647621
(S)-4-[3-(2-{(S)-3-[((S)-1-Phenyl-ethylamino)-methyl]-pyrrolidin-1-yl}-ethyl)-1H-indol-5-ylmethyl]-oxazolidin-2-one
CID 11797644
N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide
CID 156632976
Bisindolyl deriv. 14
CID 5327730
(3Z)-5-methyl-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647607
(3E)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 5353854
(Z)-3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-5-pyridin-3-yl-1,3-dihydro-indol-2-one
CID 46233108

Frequently Asked Questions

What is the IUPAC name of 3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one (CID 66636790) is 3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one is CCN(CC)Cc1c[nH]c(/C=C2\C(=O)Nc3ccc(CN4CCOC4=O)cc32)c1.
What is the InChIKey of 3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is GMUXYIRJWZVNSH-ODLFYWEKSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-25(4-2)13-16-9-17(23-12-16)11-19-18-10-15(5-6-20(18)24-21(19)27)14-26-7-8-29-22(26)28/h5-6,9-12,23H,3-4,7-8,13-14H2,1-2H3,(H,24,27)/b19-11-.
What are the key properties of 3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 394.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66636790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).